XTranscoder

XTranscoder is a dependency-free converter for one-dimensional powder X-ray diffraction (XRD) data. It automatically identifies the formats represented in samples/, reads them into a shared (2θ, intensity) model, and exports standard 0.csv by default. A GitHub Pages web app provides in-browser conversion and previews.

Supported formats

ID	Format	Read	Write from CLI / website
0	Headerless two-column CSV	✓	✓
1	PANalytical XRDML	✓	✓
2	Binary RAW (sample layout)	✓	—
3	CSV with [Scan points]	✓	✓
4	CSV with 2_theta,Intensity header	✓	✓
5	DAT	✓	✓
6	Space-delimited XY	✓	✓
7	RAW4 text TXT	✓	✓

2.raw is a proprietary binary container. XTranscoder reads the data block used by the supplied sample, but does not write a vendor-compatible binary RAW file because there is no reliable general binary layout to generate. If the RAW file does not expose usable scan coordinates, its exported x-axis is the point index; verify the 2θ calibration in the acquisition software. The remaining formats (0, 1, 3, 4, 5, 6, and 7) can be converted between one another.

Install and use from the command line

Python 3.10 or later is required. No third-party runtime packages are needed.

python -m pip install -e .

# Automatically detect the input and write standard 0.csv.
xtranscoder samples/1.xrdml result.csv

# Write another supported text format.
xtranscoder samples/5.dat result.xy --format 6.xy

The package API is equally small:

from xtranscoder import read, write

pattern = read("samples/7.txt")  # format is detected automatically
write(pattern, "result.csv")     # 0.csv is the default

Web application

Use the live XRD converter at https://asterbin.github.io/XTranscoder/. It runs entirely in the browser and provides previews for both the uploaded data and the selected export format.